2-ethenoxy-2-methylundecane

C14H28O — CID 56975110

IUPAC2-ethenoxy-2-methylundecane
SMILESC=COC(C)(C)CCCCCCCCC
InChIInChI=1S/C14H28O/c1-5-7-8-9-10-11-12-13-14(3,4)15-6-2/h6H,2,5,7-13H2,1,3-4H3
InChIKeyWMAVAQUFWLPUKF-UHFFFAOYSA-N
MW212.38 g/mol
LogP5.07
Rot. Bonds10

About 2-ethenoxy-2-methylundecane

2-ethenoxy-2-methylundecane (PubChem CID 56975110) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-ethenoxy-2-methylundecane.

Molecular Properties

Compound Name2-ethenoxy-2-methylundecane
PubChem CID56975110
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2-ethenoxy-2-methylundecane
SMILESC=COC(C)(C)CCCCCCCCC
InChIInChI=1S/C14H28O/c1-5-7-8-9-10-11-12-13-14(3,4)15-6-2/h6H,2,5,7-13H2,1,3-4H3
InChIKeyWMAVAQUFWLPUKF-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.38
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-2-methylundecane?
The IUPAC name of 2-ethenoxy-2-methylundecane (CID 56975110) is 2-ethenoxy-2-methylundecane.
What is the SMILES notation for 2-ethenoxy-2-methylundecane?
The canonical SMILES for 2-ethenoxy-2-methylundecane is C=COC(C)(C)CCCCCCCCC.
What is the InChIKey of 2-ethenoxy-2-methylundecane?
The InChIKey is WMAVAQUFWLPUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-5-7-8-9-10-11-12-13-14(3,4)15-6-2/h6H,2,5,7-13H2,1,3-4H3.
What are the key properties of 2-ethenoxy-2-methylundecane?
2-ethenoxy-2-methylundecane has a molecular weight of 212.38 g/mol, XLogP of 5.07, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-2-methylundecane is sourced from PubChem (CID 56975110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).